CMAUP Plant Ingredients

7 Known Ingredients in Total

Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.

5 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC64141
Formula: C29H36O15

Common Name	Isoacteoside
IUPAC Name	[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES	O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)/C=C/c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1
Standard InCHIKey	FNMHEHXNBNCPCI-QEOJJFGVSA-N
Ingredient External Links	PubChem CID: 6476333 ZINC ID: ZINC000049898792 ChEMBL ID: CHEMBL504873
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC64141]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Euphorbia antiquorum	Euphorbia	Euphorbiaceae
Cyathula tomentosa	Cyathula	Amaranthaceae
Cistanche deserticola	Cistanche	Orobanchaceae
Scapania aequiloba	Scapania	Scapaniaceae
Exochorda giraldii	Exochorda	Rosaceae
Artemisia argentea	Artemisia	Asteraceae
Brodiaea californica	Brodiaea	Asparagaceae
Allium stipitatum	Allium	Amaryllidaceae
Callicarpa macrophylla	Callicarpa	Lamiaceae
Spergula japonica	Spergula	Caryophyllaceae
Asphodeline damascena	Asphodeline	Asphodelaceae
Populus yunnanensis	Populus	Salicaceae
Fraxinus ornus	Fraxinus	Oleaceae
Maytenus laevis	Maytenus	Celastraceae
Scabiosa comosa	Scabiosa	Caprifoliaceae
Plectranthus lanuginosus	Plectranthus	Lamiaceae
Kopsia longiflora	Kopsia	Apocynaceae
Lepidophorum repandum	Lepidophorum	Asteraceae
Alstonia pittieri	Alstonia	Apocynaceae
Angiopteris evecta	Angiopteris	Marattiaceae
Rhododendron campylocarpum	Rhododendron	Ericaceae
Stephania aculeata	Stephania	Menispermaceae
Toddalia aculeata	Toddalia	Rutaceae
Abies alba	Abies	Pinaceae
Pinellia ternata	Pinellia	Araceae
Psorothamnus polydenius	Psorothamnus	Fabaceae
Himantoglossum hircinum	Himantoglossum	Orchidaceae
Orobanche coerulescens	Orobanche	Orobanchaceae
Solanum pseudopersicum	Solanum	Solanaceae
Acorus calamus	Acorus	Acoraceae
Acacia lasiopetala	Acacia	Fabaceae
Euphrasia rubra	Euphrasia	Orobanchaceae
Jacaranda caucana	Jacaranda	Bignoniaceae
Notholaena lemmonii	Notholaena	Pteridaceae
Rhodanthe maryonii	Rhodanthe	Asteraceae
Pogostemon cablin	Pogostemon	Lamiaceae
Plantago asiatica	Plantago	Plantaginaceae
Vigna umbellata	Vigna	Fabaceae
Veronica persica	Veronica	Plantaginaceae
Phlomoides rotata	Phlomoides	Lamiaceae
Phlomis umbrosa	Phlomis	Lamiaceae
Myristica malabarica	Myristica	Myristicaceae
Harpagophytum procumbens	Harpagophytum	Pedaliaceae
Globularia alypum	Globularia	Plantaginaceae
Spartium junceum	Spartium	Fabaceae
Cistanche tubulosa	Cistanche	Orobanchaceae
Brandisia hancei	Brandisia	Orobanchaceae
Rehmannia glutinosa	Rehmannia	Orobanchaceae
Eucalyptus kitsoniana	Eucalyptus	Myrtaceae
Plantago depressa	Plantago	Plantaginaceae
Plagiomnium cuspidatum	Plagiomnium	Mniaceae

Ingredient ID: NPC43435
Formula: C19H18O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC1=C(C)C(=O)C(C(=O)/C/1=C/1C=Cc2c(O1)cccc2)(C)C
Standard InCHI	InChI=1S/C19H18O4/c1-11-16(22-4)15(18(21)19(2,3)17(11)20)14-10-9-12-7-5-6-8-13(12)23-14/h5-10H,1-4H3/b15-14+
Standard InCHIKey	QYSRVJCZEMMWKO-CCEZHUSRSA-N
Ingredient External Links	ZINC ID: ZINC000038690641
Plant-Ingredient Association Reference	PMID: 15679330 Database: NPASS [NPC43435]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Psorothamnus polydenius	Psorothamnus	Fabaceae

Ingredient ID: NPC294852
Formula: C15H12O6

Common Name	Eriodictyol
IUPAC Name	(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Canonical SMILES	Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
Standard InCHIKey	SBHXYTNGIZCORC-ZDUSSCGKSA-N
Ingredient External Links	PubChem CID: 440735 ChEMBL ID: CHEMBL8996
Plant-Ingredient Association Reference	PMID: 15679330 Database: NPASS [NPC294852]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Myrsine capitellata	Myrsine	Primulaceae
Othonna sedifolia	Othonna	Asteraceae
Lespedeza bicolor	Lespedeza	Fabaceae
Ipomoea muricata	Ipomoea	Convolvulaceae
Chrysanthemum sinense	Chrysanthemum	Asteraceae
Eriodictyon californicum	Eriodictyon	Namaceae
Sideritis trojana	Sideritis	Lamiaceae
Pterocarpus officinalis	Pterocarpus	Fabaceae
Vernonia lanuginosa	Vernonia	Asteraceae
Calycanthus floridus	Calycanthus	Calycanthaceae
Markhamia stipulata	Markhamia	Bignoniaceae
Angelica lucida	Angelica	Apiaceae
Strophanthus kombe	Strophanthus	Apocynaceae
Castanea vesca	Castanea	Fagaceae
Adenia globosa	Adenia	Passifloraceae
Hypericum reflexum	Hypericum	Hypericaceae
Vinca minor	Vinca	Apocynaceae
Aglaia grandis	Aglaia	Meliaceae
Osteospermum fruticosum	Osteospermum	Asteraceae
Catunaregam tomentosa	Catunaregam	Rubiaceae
Liriodendron tulipifera	Liriodendron	Magnoliaceae
Thymus quinquecostatus	Thymus	Lamiaceae
Euphrasia stricta	Euphrasia	Orobanchaceae
Nerine bowdenii	Nerine	Amaryllidaceae
Satureja odora	Satureja	Lamiaceae
Cotula cinerea	Cotula	Asteraceae
Daphniphyllum paxianum	Daphniphyllum	Daphniphyllaceae
Hypericum hirsutum	Hypericum	Hypericaceae
Sideritis soluta	Sideritis	Lamiaceae
Chrysanthemum uliginosum	Chrysanthemum	Asteraceae
Dalbergia hupeana	Dalbergia	Fabaceae
Eucalyptus radiata	Eucalyptus	Myrtaceae
Cirsium oligophyllum	Cirsium	Asteraceae
Thymus vulgaris	Thymus	Lamiaceae
Conyza japonica	Conyza	Asteraceae
Dracocephalum tanguticum	Dracocephalum	Lamiaceae
Gleditsia sinensis	Gleditsia	Fabaceae
Hymenoxys insignis	Hymenoxys	Asteraceae
Anastatica hierochuntica	Anastatica	Brassicaceae
Psorothamnus polydenius	Psorothamnus	Fabaceae
Ajania fruticulosa	Ajania	Asteraceae
Dendrobium candidum	Dendrobium	Orchidaceae
Paulownia tomentosa	Paulownia	Paulowniaceae
Calicotome villosa	Calicotome	Fabaceae
Erysimum siliculosum	Erysimum	Brassicaceae
Erycibe expansa	Erycibe	Convolvulaceae
Glycine soja	Glycine	Fabaceae
Tetrapanax papyrifer	Tetrapanax	Araliaceae
Dorstenia dinklagei	Dorstenia	Moraceae
Croton zehntneri	Croton	Euphorbiaceae
Citrus maxima	Citrus	Rutaceae
Scutellaria baicalensis	Scutellaria	Lamiaceae
Sapium haematospermum	Sapium	Euphorbiaceae
Ilex taubertiana	Ilex	Aquifoliaceae
Spinulum annotinum	Dendrolycopodium	Lycopodiaceae
Cudrania tricuspidata	Maclura	Moraceae
Geum japonicum	Geum	Rosaceae
Limonium sinense	Limonium	Plumbaginaceae
Erigeron breviscapus	Erigeron	Asteraceae
Sesbania bispinosa	Sesbania	Fabaceae
Zanthoxylum myriacanthum	Zanthoxylum	Rutaceae
Anaphalis araneosa	Anaphalis	Asteraceae
Bhesa nitidissima	Bhesa	Centroplacaceae
Solidago serotina	Solidago	Asteraceae
Peucedanum ostruthium	Peucedanum	Apiaceae
Annona glabra	Annona	Annonaceae
Viguiera stenoloba	Viguiera	Asteraceae
Artemisia klotzchiana	Artemisia	Asteraceae
Camchaya loloana	Camchaya	Asteraceae
Rothmannia wittii	Rothmannia	Rubiaceae
Mimusops caffra	Mimusops	Sapotaceae
Mollugo spergula	Mollugo	Molluginaceae
Sonchus oleraceus	Sonchus	Asteraceae
Ranzania japonica	Ranzania	Berberidaceae
Asphodelus tenuifolius	Asphodelus	Asphodelaceae
Gleditsia japonica	Gleditsia	Fabaceae
Impatiens edgeworthii	Impatiens	Balsaminaceae
Artemisia kurramensis	Artemisia	Asteraceae
Episcia cupreata	Episcia	Gesneriaceae
Veronica arvensis	Veronica	Plantaginaceae
Astragalus curvicarpus	Astragalus	Fabaceae
Kaempferia rotunda	Kaempferia	Zingiberaceae
Sorbaria sorbifolia	Sorbaria	Rosaceae
Nicotiana affinis	Nicotiana	Solanaceae
Adina sessilifolia	Adina	Rubiaceae
Jasonia candicans	Jasonia	Asteraceae
Senecio sandersonii	Senecio	Asteraceae

Ingredient ID: NPC248372
Formula: C17H16O4

Common Name	Demethoxymatteucinol
IUPAC Name	(2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
Canonical SMILES	Cc1c2O[C@@H](CC(=O)c2c(c(c1O)C)O)c1ccccc1
Standard InCHI	InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1
Standard InCHIKey	HAIHGFWQOPJMPV-ZDUSSCGKSA-N
Ingredient External Links	PubChem CID: 180550 ChEMBL ID: CHEMBL53439
Plant-Ingredient Association Reference	PMID: 15679330 Database: NPASS [NPC248372]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Asarum heterotropoides	Asarum	Aristolochiaceae
Centaurea aspera	Centaurea	Asteraceae
Pteris fauriei	Pteris	Pteridaceae
Crotalaria novae-hollandiae	Crotalaria	Fabaceae
Syzygium samarangense	Syzygium	Myrtaceae
Psorothamnus polydenius	Psorothamnus	Fabaceae
Thermopsis mollis	Thermopsis	Fabaceae
Hyptis brevipes	Hyptis	Lamiaceae
Crinum latifolium	Crinum	Amaryllidaceae
Alnus cordata	Alnus	Betulaceae
Aloe deltoideodonta	Aloe	Asphodelaceae
Bauhinia purpurea	Bauhinia	Fabaceae
Garcinia livingstonei	Garcinia	Clusiaceae
Leitneria floridana	Leitneria	Simaroubaceae
Notholaena aschenborniana	Notholaena	Pteridaceae

Ingredient ID: NPC157338
Formula: C14H20O7

Common Name	n.a.
IUPAC Name	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
Standard InCHIKey	ILRCGYURZSFMEG-RKQHYHRCSA-N
Ingredient External Links	PubChem CID: 159278 ZINC ID: ZINC000006092865
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC157338]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Echinocereus blanckii	Echinocereus	Cactaceae
Rabdosia weisiensis	Isodon	Lamiaceae
Sargentodoxa cuneata	Sargentodoxa	Lardizabalaceae
Alluaudia ascendens	Alluaudia	Didiereaceae
Buddleja officinalis	Buddleja	Scrophulariaceae
Castanospermum australe	Castanospermum	Fabaceae
Ligustrum japonicus	Ligustrum	Oleaceae
Fraxinus chinensis	Fraxinus	Oleaceae
Euodia bodinieri	Euodia	Rutaceae
Ligustrum lucidum	Ligustrum	Oleaceae
Juglans regia	Juglans	Juglandaceae
Forsythia viridissima	Forsythia	Oleaceae
Tetradium ruticarpum	Tetradium	Rutaceae
Forsythia suspensa	Forsythia	Oleaceae
Psorothamnus polydenius	Psorothamnus	Fabaceae
Rhodiola crenulata	Rhodiola	Crassulaceae
Bombax ceiba	Bombax	Malvaceae
Physostigma venenosum	Physostigma	Fabaceae
Smilax china	Smilax	Smilacaceae
Erysimum odoratum	Erysimum	Brassicaceae
Heterotheca inuloides	Heterotheca	Asteraceae
Delphinium andersoni	Delphinium	Ranunculaceae
Vaccinium vitis-idaea	Vaccinium	Ericaceae
Vismia jefensis	Vismia	Hypericaceae
Angelica tarokoensis	Angelica	Apiaceae
Swertia delavayi	Swertia	Gentianaceae
Epimedium davidii	Epimedium	Berberidaceae
Globba malaccensis	Globba	Zingiberaceae
Diphasia angolensis	Diphasia	Rutaceae
Knightia excelsa	Knightia	Proteaceae
Isodon japonicus	Isodon	Lamiaceae
Solanum acaule	Solanum	Solanaceae
Frullania tamarisci	Frullania	Frullaniaceae
Alangium premnifolium	Alangium	Cornaceae
Saussurea carthamoides	Saussurea	Asteraceae
Galenia africana	Galenia	Aizoaceae
Micromeria pineolens	Micromeria	Lamiaceae
Gnidia lamprantha	Gnidia	Thymelaeaceae
Ilex amara	Ilex	Aquifoliaceae
Leonurus glaucescens	Leonurus	Lamiaceae
Salacia madagascariensis	Salacia	Celastraceae
Maba buxifolia	Maba	Ebenaceae
Quercus sessiliflora	Quercus	Fagaceae
Plantago asiatica	Plantago	Plantaginaceae
Fraxinus stylosa	Fraxinus	Oleaceae
Centaurea collina	Centaurea	Asteraceae
Achillea serbica	Achillea	Asteraceae
Euodia officinalis	Euodia	Rutaceae
Euonymus nanus	Euonymus	Celastraceae
Lepidium draba	Lepidium	Brassicaceae
Millingtonia hortensis	Millingtonia	Bignoniaceae
Sinapis nigra	Sinapis	Brassicaceae
Cistanche tubulosa	Cistanche	Orobanchaceae
Smilax glabra	Smilax	Smilacaceae
Euodia ruticarpa	Euodia	Rutaceae
Plantago depressa	Plantago	Plantaginaceae
Fraxinus szaboana	Fraxinus	Oleaceae

Ingredient ID: NPC156092
Formula: C18H18O4

Common Name	4',6'-Dihydroxy-3',5'-Dimethyl-2'-Methoxychalcone
IUPAC Name	(E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one
Canonical SMILES	COc1c(C(=O)/C=C/c2ccccc2)c(O)c(c(c1C)O)C
Standard InCHI	InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
Standard InCHIKey	TZEQDSMFACWASC-MDZDMXLPSA-N
Ingredient External Links	PubChem CID: 10424762 ZINC ID: ZINC000014779988 ChEMBL ID: CHEMBL463095
Plant-Ingredient Association Reference	PMID: 15679330 Database: NPASS [NPC156092]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Psorothamnus polydenius	Psorothamnus	Fabaceae

Ingredient ID: NPC12165
Formula: C18H18O5

Common Name	2,2',4'-Trihydroxy-6'-Methoxy-3',5'-Dimethylchalcone
IUPAC Name	(E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Canonical SMILES	COc1c(C(=O)/C=C/c2ccccc2O)c(O)c(c(c1C)O)C
Standard InCHI	InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+
Standard InCHIKey	SPWBEELZNSXNME-CMDGGOBGSA-N
Ingredient External Links	PubChem CID: 11771403 ChEMBL ID: CHEMBL509947
Plant-Ingredient Association Reference	PMID: 15679330 Database: NPASS [NPC12165]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Psorothamnus polydenius	Psorothamnus	Fabaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC12165	C18H18O5	2,2',4'-Trihydroxy-6'-Methoxy-3',5'-Dimethylchalcone	314.12	-0.0514	2.89	2.544	1	3	86.99	10	2	23	0
NPC156092	C18H18O4	4',6'-Dihydroxy-3',5'-Dimethyl-2'-Methoxychalcone	298.12	0.4089	3	4.562	1	2	66.76	9	2	22	0
NPC157338	C14H20O7		300.120903	-2.4003	2.23	0.063	6	5	119.61	10	2	21	0
NPC248372	C17H16O4	Demethoxymatteucinol	284.1	-0.0701	2.89	2.717	1	2	66.76	5	3	21	0
NPC294852	C15H12O6	Eriodictyol	288.06	-2.2747	2.45	0.363	1	4	107.22	5	3	21	0
NPC43435	C19H18O4		310.12	0.9413	3.11	3.852	3	0	52.6	5	3	23	0
NPC64141	C29H36O15	Isoacteoside	624.21	-4.2978	3	-0.202	11	9	245.29	21	4	44	3

Download Data

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Data Section	Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)
2. Physico-chemical Properties